C12H36N12O8
C12H36N12O8 is a metastable, insulating organic compound that serves as a subject of interest for structural and electronic material studies.
About C12H36N12O8
C12H36N12O8 is a complex organic molecular structure characterized by its wide-band-gap insulating electronic profile. Its structural arrangement suggests a niche role in specialized chemical environments where electrical conductivity must be strictly avoided.
As a metastable species, this compound represents a unique structural configuration that is of significant interest for fundamental research into molecular stability. The existence of multiple reported structures highlights its versatility and the ongoing efforts to map its potential chemical landscape.
Key Properties
Cross-validated computational properties for C12H36N12O8, aggregated across 4 databases.
Band GapEnergy needed to move an electron from the valence band to the conduction band. Lower or zero values tend to behave more metallic; larger gaps are more insulating or semiconducting.
Energy Above HullThermodynamic distance from the most stable set of competing phases. 0 eV/atom is on the convex hull; small positive values may still be experimentally accessible.
StabilityA plain-language summary of the best reported energy-above-hull result. It reflects whether the lowest-energy structure is on, near, or far from the stability hull.
StructuresCount of reported calculated crystal structures for this formula, including alternate polymorphs, source databases, and observed space groups.
Reported Structures
Lowest-energy structures reported for C12H36N12O8, ranked by energy above hull.
| Space GroupSymmetry classification of the crystal arrangement. The number is the international space-group index. | Crystal SystemBroad lattice family, such as cubic, tetragonal, monoclinic, or triclinic, derived from unit-cell symmetry. | Band Gap (eV)Electronic gap calculated for this specific reported structure, measured in electronvolts. | E above hull (eV/atom)Thermodynamic distance from the convex hull for this structure, normalized per atom. Lower is generally more stable. | E/atom (eV)Computed total energy normalized per atom. Use energy above hull, not this value alone, when comparing stability. | Density (g/cm³)Mass per relaxed crystal volume, reported in grams per cubic centimeter. |
|---|---|---|---|---|---|
| P212121 (No. 19) | orthorhombic | 4.94 | 0.0805 | -6.067 | 1.27 |
| — | — | — | — | — | 1.25 |
| P212121 (No. 19) | — | — | — | — | — |
| No. 0 | unknown | — | — | — | 0.25 |
| No. 0 | unknown | — | — | — | 0.36 |
Frequently Asked Questions
Common questions about C12H36N12O8, answered from cross-validated data.
What is C12H36N12O8?
C12H36N12O8 is a metastable, insulating organic compound that serves as a subject of interest for structural and electronic material studies.
What is the band gap of C12H36N12O8?
Is C12H36N12O8 a metal, semiconductor, or insulator?
Is C12H36N12O8 thermodynamically stable?
What is the crystal structure of C12H36N12O8?
What is the density of C12H36N12O8?
How many polymorphs of C12H36N12O8 are known?
What elements does C12H36N12O8 contain?
Where does the data for C12H36N12O8 come from?
How It Compares
As a distinct molecular entity, C12H36N12O8 occupies a specialized position within its chemical class, serving as a point of reference for understanding the stability limits of complex nitrogen-rich organic systems.
Data sources & attribution
- materials_project — Data from the Materials Project. Cite: Jain et al., APL Materials 1, 011002 (2013).
- omat24 — Data from OMat24 (Meta FAIR). Cite: Barroso-Luque et al., arXiv 2410.12771 (2024).
- aflow — Data from AFLOW. Cite: Curtarolo et al., Comp. Mater. Sci. 58, 218 (2012).
- cod — Data from the Crystallography Open Database. Cite: Grazulis et al., Nucleic Acids Res. 40, D420 (2012).
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